7QYP
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![BU of 7qyp by Molmil](/molmil-images/mine/7qyp) | The structure of T. forsythia NanH | Descriptor: | 1,2-ETHANEDIOL, BNR/Asp-box repeat protein | Authors: | Rafferty, J, Stafford, G, Satur, M. | Deposit date: | 2022-01-28 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia. Biochem.J., 479, 2022
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7QG0
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![BU of 7qg0 by Molmil](/molmil-images/mine/7qg0) | Inhibitor-induced hSARM1 duplex | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Zalk, R, Kahzma, T, Guez-Haddad, J. | Deposit date: | 2021-12-07 | Release date: | 2022-12-21 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.02 Å) | Cite: | A duplex structure of SARM1 octamers stabilized by a new inhibitor. Cell.Mol.Life Sci., 80, 2022
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6DDL
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![BU of 6ddl by Molmil](/molmil-images/mine/6ddl) | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DE2
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![BU of 6de2 by Molmil](/molmil-images/mine/6de2) | Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ... | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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7QUJ
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![BU of 7quj by Molmil](/molmil-images/mine/7quj) | Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2 | Authors: | Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E. | Deposit date: | 2022-01-18 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biocatalytic routes to stereo-divergent iridoids. Nat Commun, 13, 2022
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7QRD
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![BU of 7qrd by Molmil](/molmil-images/mine/7qrd) | Crystal structure of mouse CARM1 in complex with histone H3_10-25 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, ... | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2022-01-11 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CARM1 Transition State Mimics To Be Published
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6DIZ
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![BU of 6diz by Molmil](/molmil-images/mine/6diz) | EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | Deposit date: | 2018-05-24 | Release date: | 2019-04-24 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid. Plos Pathog., 15, 2019
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6DKD
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![BU of 6dkd by Molmil](/molmil-images/mine/6dkd) | Yeast Ddi2 Cyanamide Hydratase | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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7QPL
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![BU of 7qpl by Molmil](/molmil-images/mine/7qpl) | |
6DH9
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![BU of 6dh9 by Molmil](/molmil-images/mine/6dh9) | |
7QPH
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![BU of 7qph by Molmil](/molmil-images/mine/7qph) | Crystal structure of mouse CARM1 in complex with histone H3_22-31 K27 acetylated | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone H3 22-31 K27 acetylated, ... | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2022-01-04 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CARM1 Transition State Mimics To Be Published
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6DKC
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![BU of 6dkc by Molmil](/molmil-images/mine/6dkc) | Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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7QP3
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![BU of 7qp3 by Molmil](/molmil-images/mine/7qp3) | Pseudogymnoascus pannorum M36 protease without the propeptide | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Phaeosphaeria nodorum M36 protease without the propeptide To Be Published
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7QSJ
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![BU of 7qsj by Molmil](/molmil-images/mine/7qsj) | Methylmannose polysaccharide hydrolase MmpH from M. hassiacum | Descriptor: | GLYCEROL, MAGNESIUM ION, Methylmannose polysaccharide hydrolase (MmpH), ... | Authors: | Ripoll-Rozada, J, Manso, J.A, Pereira, P.J.B. | Deposit date: | 2022-01-13 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides. Commun Biol, 6, 2023
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6DRJ
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![BU of 6drj by Molmil](/molmil-images/mine/6drj) | Structure of TRPM2 ion channel receptor by single particle electron cryo-microscopy, ADPR/Ca2+ bound state | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel, ... | Authors: | Du, J, Lu, W, Huang, Y, Winkler, P, Sun, W. | Deposit date: | 2018-06-12 | Release date: | 2018-09-19 | Last modified: | 2018-10-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Architecture of the TRPM2 channel and its activation mechanism by ADP-ribose and calcium. Nature, 562, 2018
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6DTL
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![BU of 6dtl by Molmil](/molmil-images/mine/6dtl) | Mitogen-activated protein kinase 6 | Descriptor: | Mitogen-activated protein kinase 6 | Authors: | Ruble, J. | Deposit date: | 2018-06-17 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.753 Å) | Cite: | Bipartite anchoring of SCREAM enforces stomatal initiation by coupling MAP kinases to SPEECHLESS. Nat.Plants, 5, 2019
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6DU8
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![BU of 6du8 by Molmil](/molmil-images/mine/6du8) | Human Polycsytin 2-l1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystic kidney disease 2-like 1 protein | Authors: | Hulse, R.E, Clapham, D.E, Li, Z, Huang, R.K, Zhang, J. | Deposit date: | 2018-06-20 | Release date: | 2018-07-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Cryo-EM structure of the polycystin 2-l1 ion channel. Elife, 7, 2018
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6DV4
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![BU of 6dv4 by Molmil](/molmil-images/mine/6dv4) | HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-06-22 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160, 2018
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7QSG
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![BU of 7qsg by Molmil](/molmil-images/mine/7qsg) | |
7QVL
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![BU of 7qvl by Molmil](/molmil-images/mine/7qvl) | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | Descriptor: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists. J.Med.Chem., 66, 2023
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6DFU
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![BU of 6dfu by Molmil](/molmil-images/mine/6dfu) | Tryptophan--tRNA ligase from Haemophilus influenzae. | Descriptor: | TRYPTOPHAN, Tryptophan--tRNA ligase | Authors: | Osipiuk, J, Maltseva, N, Mulligan, R, Grimshaw, S, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-15 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tryptophan--tRNA ligase from Haemophilus influenzae. to be published
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6D6T
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![BU of 6d6t by Molmil](/molmil-images/mine/6d6t) | Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E. | Deposit date: | 2018-04-22 | Release date: | 2018-06-27 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Structure of a human synaptic GABAAreceptor. Nature, 559, 2018
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7QVJ
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![BU of 7qvj by Molmil](/molmil-images/mine/7qvj) | ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists. J.Med.Chem., 66, 2023
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6DDQ
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![BU of 6ddq by Molmil](/molmil-images/mine/6ddq) | Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the basal state | Descriptor: | 1,2-ETHANEDIOL, Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DE7
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![BU of 6de7 by Molmil](/molmil-images/mine/6de7) | |